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2-[(1S,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester
SpectraBase Compound ID 90pzflnimYz
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4-/t10-,11+,12-/m0/s1
InChIKey OOYCGMQJIWHWHA-LNDCSFGSSA-N
Mol Weight 226.32 g/mol
Molecular Formula C13H22O3
Exact Mass 226.156895 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6JNHWw0dJ72
Name 2-[(1S,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid methyl ester
Alternate Name(s) Methyl 2-[(1S,2R,3S)-3-hydroxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetate Methyl 2-[(1S,2R,3S)-3-oxidanyl-2-[(Z)-pent-2-enyl]cyclopentyl]ethanoate
CAS Registry Number 128820-29-1
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H22O3
InChI InChI=1S/C13H22O3/c1-3-4-5-6-11-10(7-8-12(11)14)9-13(15)16-2/h4-5,10-12,14H,3,6-9H2,1-2H3/b5-4-/t10-,11+,12-/m0/s1
InChIKey OOYCGMQJIWHWHA-LNDCSFGSSA-N
Molecular Weight 226.316 g/mol
SMILES O[C@@]1([C@@]([C@](CC(=O)OC)(CC1)[H])(C\C=C/CC)[H])[H]
SPLASH splash10-0kai-0900000000-7bbc4cd2ccaa31a9218a
Source of Spectrum H-72-1857-10
Wiley ID 1227599